Hello Filippo, Thank you!
That was what I did, I configure it with ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort \ --enable-parallel --disable-openmp --without-scalapack \ --enable-cuda --with-gpu-arch=sm_35 --with-cuda-dir=/usr/local/cuda-6.5 \ --with-magma --with-phigemm \ LDFLAGS="-L/usr/lib64/ -lstdc++" But, as I run, mpirun -genvall -np 8 ./pw-gpu.x -inp /home/rolly/AuSurf111_fix/AuSurf111_fix+Biotin.in |tee /home/rolly/AuSurf111_fix/AuSurf111_fix+Biotin.out It stops immediately. *** ERROR *** something went wrong inside query_gpu_specs! (rank 0)*** ERROR *** something went wrong inside query_gpu_specs! (rank 2)*** ERROR *** something went wrong inside query_gpu_specs! (rank 1)*** ERROR *** something went wrong inside query_gpu_specs! (rank 3)*** ERROR *** something went wrong inside query_gpu_specs! (rank 4)*** ERROR *** something went wrong inside query_gpu_specs! (rank 7)*** ERROR *** something went wrong inside query_gpu_specs! (rank 5)*** ERROR *** something went wrong inside query_gpu_specs! (rank 6)linux-iltf:/opt/QE520-GP U/bin # I have to do control-c to quit. Any idea? Thank you! Rolly On 01/09/2016 06:00 PM, Filippo Spiga wrote: > Hello Rolly, > > Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is > supported for K80. I do not recall I added explicit support for 3.7 in > QE-GPU. From an optimization perspective, I can guarantee there is nothing in > the code that leverage K80 better than any other NVIDIA GPU Kepler > architecture. > > Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. > Updates will arrive with the next release as well since now the two are > aligned. tar.gz and announcement will made during the weekend. > > Cheers > > -- > Mr. Filippo SPIGA, M.Sc. > Quantum ESPRESSO Foundation > http://www.quantum-espresso.org ~ skype: filippo.spiga > > >> On Jan 9, 2016, at 9:28 AM, Rolly Ng <roll...@gmail.com> wrote: >> >> Dear QE-GPU developers, >> >> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80, >> total of 8 GPU cores. >> >> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes >> with sm_37. >> >> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0 >> complied okay. However, when I run the pw-gpu.x, it failed with >> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ... >> (rank 7) >> >> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3? >> >> Thank you, >> Rolly >> >> -- >> PhD. Research Fellow, >> Dept. of Physics & Materials Science, >> City University of Hong Kong >> Tel: +852 3442 4000 >> Fax: +852 3442 0538 >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- PhD. Research Fellow, Dept. of Physics & Materials Science, City University of Hong Kong Tel: +852 3442 4000 Fax: +852 3442 0538 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum